3-acetamido-6-[(4-acetamido-2-sulfo-phenyl)diazenyl]-2-[4-(diethylamino)naphthalen-1-yl]benzenesulfonic acid

Systemtic Name: 3-acetamido-6-[(4-acetamido-2-sulfo-phenyl)diazenyl]-2-[4-(diethylamino)naphthalen-1-yl]benzenesulfonic acid Openeye Name: 3-acetamido-6-(4-acetamido-2-sulfo-phenyl)azo-2-[4-(diethylamino)-1-naphthyl]benzenesulfonic acid CAS Name: 3-acetamido-6-(4-acetamido-2-sulfophenyl)azo-2-[4-(diethylamino)-1-naphthalenyl]benzenesulfonic acid IUPAC Name: 3-acetamido-6-[(4-acetamido-2-sulfophenyl)diazenyl]-2-[4-(diethylamino)naphthalen-1-yl]benzenesulfonic acid Traditional Name: 3-acetamido-6-(4-acetamido-2-sulfo-phenyl)azo-2-[4-(diethylamino)-1-naphthyl]besylic acid Formula: C30H31N5O8S2 MolecularWeight: 653.72584

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC=C(C2=CC=CC=C21)C3=C(C=CC(=C3S(=O)(=O)O)N=NC4=C(C=C(C=C4)NC(=O)C)S(=O)(=O)O)NC(=O)C

Isomeric SMILES

CCN(CC)C1=CC=C(C2=CC=CC=C21)C3=C(C=CC(=C3S(=O)(=O)O)N=NC4=C(C=C(C=C4)NC(=O)C)S(=O)(=O)O)NC(=O)C

InChI

InChI=1S/C30H31N5O8S2/c1-5-35(6-2)27-16-12-23(21-9-7-8-10-22(21)27)29-25(32-19(4)37)14-15-26(30(29)45(41,42)43)34-33-24-13-11-20(31-18(3)36)17-28(24)44(38,39)40/h7-17H,5-6H2,1-4H3,(H,31,36)(H,32,37)(H,38,39,40)(H,41,42,43)